ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate

C13H17F7O4 — CID 91459836

IUPACethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCOC(F)(C(F)(F)F)C(F)(F)F.C=CO
InChIInChI=1S/C11H13F7O3.C2H4O/c1-2-8(19)20-6-4-3-5-7-21-9(12,10(13,14)15)11(16,17)18;1-2-3/h2H,1,3-7H2;2-3H,1H2
InChIKeyKRIREFSHILBUSQ-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.38
Rot. Bonds8

About ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate

ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate (PubChem CID 91459836) has the molecular formula C13H17F7O4 and a molecular weight of 370.26 g/mol. Its IUPAC name is ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate.

Molecular Properties

Compound Nameethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate
PubChem CID91459836
Molecular FormulaC13H17F7O4
Molecular Weight370.26 g/mol
Exact Mass370.10
IUPAC Nameethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCOC(F)(C(F)(F)F)C(F)(F)F.C=CO
InChIInChI=1S/C11H13F7O3.C2H4O/c1-2-8(19)20-6-4-3-5-7-21-9(12,10(13,14)15)11(16,17)18;1-2-3/h2H,1,3-7H2;2-3H,1H2
InChIKeyKRIREFSHILBUSQ-UHFFFAOYSA-N
XLogP4.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
14-fluorotetradecyl prop-2-enoate
CID 142675259
11-fluoroundecyl prop-2-enoate
CID 88673047
7,7,8,8,9,9,10,10,10-nonafluorodecyl prop-2-enoate
CID 118106898
17-(trifluoromethylsilyl)heptadecyl prop-2-enoate
CID 175896025
10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-henicosafluorononadecyl prop-2-enoate
CID 175938284
6-(hydroxymethoxy)hexyl prop-2-enoate
CID 130426274
ethenol;hexyl prop-2-enoate;prop-2-enoic acid
CID 88838296
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
10-hydroxydecyl prop-2-enoate
CID 14715958

Frequently Asked Questions

What is the IUPAC name of ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate?
The IUPAC name of ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate (CID 91459836) is ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate.
What is the SMILES notation for ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate?
The canonical SMILES for ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate is C=CC(=O)OCCCCCOC(F)(C(F)(F)F)C(F)(F)F.C=CO.
What is the InChIKey of ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate?
The InChIKey is KRIREFSHILBUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F7O3.C2H4O/c1-2-8(19)20-6-4-3-5-7-21-9(12,10(13,14)15)11(16,17)18;1-2-3/h2H,1,3-7H2;2-3H,1H2.
What are the key properties of ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate?
ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate has a molecular weight of 370.26 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate is sourced from PubChem (CID 91459836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).